CID 47002644

2-chloro-n-{3-[(pyridin-2-ylsulfanyl)methyl]phenyl}acetamide

Structural Information

Molecular Formula

C₁₄H₁₃ClN₂OS

SMILES

C1=CC=NC(=C1)SCC2=CC(=CC=C2)NC(=O)CCl

InChI

InChI=1S/C14H13ClN2OS/c15-9-13(18)17-12-5-3-4-11(8-12)10-19-14-6-1-2-7-16-14/h1-8H,9-10H2,(H,17,18)

InChIKey

OYHVKCOATSONJM-UHFFFAOYSA-N

Compound name

2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 292.0437 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	293.050976	162.4
[M+Na]+	315.032918	170.1
[M-H]-	291.036424	167.6
[M+NH4]+	310.077523	177.5
[M+K]+	331.006858	163.7
[M+H-H2O]+	275.040960	154.9
[M+HCOO]-	337.041901	176.2
[M+CH3COO]-	351.057551	199.4
[M+Na-2H]-	313.018366	165.8
[M]+	292.04315142	165.9
[M]-	292.04424858	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.